#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr1 s GLN 2 N 0.00 1.12 0.20 2.12 -2.07 -1.25 -2.82 119.66 116.96 1wr1 s GLN 2 Ca 0.00 -1.55 -0.07 0.00 -1.82 0.00 0.00 55.36 51.91 1wr1 s GLN 2 Cb 0.00 -0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 31.78 1wr1 s GLN 2 CO 0.00 -0.20 0.29 0.96 -1.32 0.00 0.00 175.29 175.01 1wr1 s ILE 3 N -3.79 0.03 0.09 3.63 -5.25 -0.54 -0.24 121.20 115.12 1wr1 s ILE 3 Ca 0.27 -1.61 0.07 0.00 -0.99 0.00 0.00 60.65 58.39 1wr1 s ILE 3 Cb 0.07 -2.17 -0.03 0.00 2.95 0.00 0.00 42.46 43.28 1wr1 s ILE 3 CO 0.05 -0.12 -0.19 -0.36 -1.79 0.00 0.00 174.94 172.53 1wr1 s PHE 4 N -4.05 1.63 -0.03 1.37 0.40 0.29 -0.61 117.98 116.98 1wr1 s PHE 4 Ca 0.26 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1wr1 s PHE 4 Cb 0.03 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.68 1wr1 s PHE 4 CO 0.07 0.15 -0.03 0.08 0.70 0.00 0.00 175.22 176.19 1wr1 s VAL 5 N -1.15 0.38 -0.18 -0.44 1.01 -0.27 -1.05 120.40 118.71 1wr1 s VAL 5 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1wr1 s VAL 5 Cb -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1wr1 s VAL 5 CO 0.03 0.18 -0.16 -0.75 0.00 0.00 0.00 175.10 174.40 1wr1 s LYS 6 N 0.81 3.13 1.00 2.72 2.36 0.22 -0.17 119.74 129.82 1wr1 s LYS 6 Ca -0.10 -0.77 -0.12 0.00 -2.55 0.00 0.00 55.97 52.43 1wr1 s LYS 6 Cb -0.13 -2.66 0.19 0.00 -1.05 0.00 0.00 37.83 34.19 1wr1 s LYS 6 CO -0.01 -0.12 1.09 0.95 1.55 0.00 0.00 175.35 178.81 1wr1 s THR 7 N 1.14 2.16 0.23 3.43 -4.23 -0.22 -1.70 115.64 116.45 1wr1 s THR 7 Ca 0.01 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1wr1 s THR 7 Cb -0.14 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1wr1 s THR 7 CO -0.06 -0.07 1.57 -0.07 -0.54 0.00 0.00 174.62 175.45 1wr1 h LEU 8 N -1.94 0.40 -0.83 4.79 3.38 -1.91 -3.24 115.31 115.96 1wr1 h LEU 8 Ca -0.54 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.19 1wr1 h LEU 8 Cb 1.32 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1wr1 h LEU 8 CO 0.56 0.86 0.41 0.74 0.09 0.00 0.00 178.44 181.10 1wr1 h THR 9 N 0.28 1.26 0.00 0.22 2.02 -1.96 -3.47 112.91 111.26 1wr1 h THR 9 Ca 0.01 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1wr1 h THR 9 Cb 1.04 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1wr1 h THR 9 CO 0.09 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1wr1 n GLY 10 N -1.02 0.17 3.72 2.16 0.00 -1.22 -5.14 105.19 103.86 1wr1 n GLY 10 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1wr1 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 11 N 0.00 4.64 -0.34 1.61 2.47 -1.26 -4.84 119.74 122.01 1wr1 s LYS 11 Ca 0.00 1.43 -0.11 0.00 -1.56 0.00 0.00 55.97 55.73 1wr1 s LYS 11 Cb 0.00 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.96 1wr1 s LYS 11 CO 0.00 0.11 0.20 0.99 0.16 0.00 0.00 175.35 176.82 1wr1 s THR 12 N 0.38 4.85 0.47 3.43 2.01 -1.26 -1.06 115.64 124.46 1wr1 s THR 12 Ca 0.49 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1wr1 s THR 12 Cb -0.22 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1wr1 s THR 12 CO 0.29 -0.06 0.81 -0.63 -0.69 0.00 0.00 174.62 174.34 1wr1 s ILE 13 N 1.64 4.83 -0.03 1.82 -1.09 0.76 -4.93 121.20 124.20 1wr1 s ILE 13 Ca 0.04 0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.96 1wr1 s ILE 13 Cb -0.18 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1wr1 s ILE 13 CO 0.08 -0.75 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.07 1wr1 s THR 14 N -2.64 0.73 0.13 2.92 2.01 -1.26 -1.11 115.64 116.41 1wr1 s THR 14 Ca 0.50 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.23 1wr1 s THR 14 Cb -0.10 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1wr1 s THR 14 CO 0.40 0.24 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.70 1wr1 s LEU 15 N 0.33 2.47 -0.44 4.42 1.43 0.22 -4.99 118.68 122.11 1wr1 s LEU 15 Ca -0.05 -0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 52.09 1wr1 s LEU 15 Cb -0.10 -0.35 0.12 0.00 0.03 0.00 0.00 46.19 45.89 1wr1 s LEU 15 CO 0.01 -0.28 0.26 -0.70 0.23 0.00 0.00 176.35 175.86 1wr1 s GLU 16 N -3.27 2.18 0.39 1.70 2.12 -1.26 -1.47 118.70 119.08 1wr1 s GLU 16 Ca 0.12 -1.85 0.03 0.00 0.36 0.00 0.00 54.97 53.63 1wr1 s GLU 16 Cb -0.00 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 1wr1 s GLU 16 CO 0.01 -1.12 0.09 0.14 -0.54 0.00 0.00 175.26 173.84 1wr1 s VAL 17 N 1.13 0.88 0.33 3.70 -7.23 -1.13 -4.98 120.40 113.11 1wr1 s VAL 17 Ca 0.08 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1wr1 s VAL 17 Cb -0.24 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1wr1 s VAL 17 CO -0.03 0.00 0.08 -1.61 -0.31 0.00 0.00 175.10 173.23 1wr1 s GLU 18 N -3.79 2.25 0.44 4.82 0.41 -1.26 -3.30 118.70 118.27 1wr1 s GLU 18 Ca 0.26 -1.61 0.30 0.00 -0.41 0.00 0.00 54.97 53.50 1wr1 s GLU 18 Cb 0.05 -2.08 1.60 0.00 -1.78 0.00 0.00 34.13 31.91 1wr1 s GLU 18 CO 0.14 0.14 1.91 0.66 -0.49 0.00 0.00 175.26 177.61 1wr1 h SER 19 N 1.67 0.00 -0.01 -0.19 4.64 -1.97 -2.47 113.55 115.22 1wr1 h SER 19 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wr1 h SER 19 CO 0.64 0.00 -0.70 -1.54 -0.87 0.00 0.00 176.83 174.36 1wr1 n SER 20 N -2.54 1.57 -4.74 4.97 3.41 -1.26 -1.35 113.62 113.68 1wr1 n SER 20 Ca -0.02 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 56.98 1wr1 n SER 20 Cb 0.05 0.71 0.09 0.00 -0.26 0.00 0.00 64.21 64.80 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wr1 s ASP 21 N -2.69 4.30 0.46 4.04 1.01 -0.93 -4.87 116.67 118.00 1wr1 s ASP 21 Ca 0.14 2.10 -0.03 0.00 0.71 0.00 0.00 52.55 55.47 1wr1 s ASP 21 Cb 0.17 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1wr1 s ASP 21 CO 0.70 -2.18 0.72 0.42 0.21 0.00 0.00 175.17 175.04 1wr1 s THR 22 N -2.41 4.49 0.24 -1.27 -4.23 -1.26 -2.44 115.64 108.76 1wr1 s THR 22 Ca 0.68 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1wr1 s THR 22 Cb -0.23 -3.69 0.21 0.00 1.34 0.00 0.00 72.50 70.14 1wr1 s THR 22 CO 0.49 -0.58 1.87 0.40 -0.54 0.00 0.00 174.62 176.25 1wr1 h ILE 23 N 0.32 1.09 -0.77 2.99 1.08 -1.07 -0.77 117.51 120.38 1wr1 h ILE 23 Ca -0.47 -0.36 0.10 0.00 -0.39 0.00 0.00 64.86 63.74 1wr1 h ILE 23 Cb 1.23 -0.04 -0.07 0.00 -3.07 0.00 0.00 36.82 34.87 1wr1 h ILE 23 CO 0.60 0.19 0.41 -0.78 -0.69 0.00 0.00 178.15 177.88 1wr1 h ASP 24 N 1.04 0.55 -0.14 1.72 3.58 -1.74 -1.81 116.42 119.63 1wr1 h ASP 24 Ca 0.36 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 1wr1 h ASP 24 Cb 0.09 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1wr1 h ASP 24 CO -0.14 0.30 0.03 0.78 -2.88 0.00 0.00 179.24 177.33 1wr1 h ASN 25 N 0.68 0.22 0.06 2.28 2.35 -1.63 -2.44 115.58 117.09 1wr1 h ASN 25 Ca 0.38 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 1wr1 h ASN 25 Cb 0.40 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 1wr1 h ASN 25 CO -0.27 0.40 -0.31 0.58 -1.65 0.00 0.00 177.43 176.18 1wr1 h VAL 26 N 0.02 0.32 -0.76 2.81 2.07 -0.83 -2.00 116.25 117.88 1wr1 h VAL 26 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 1wr1 h VAL 26 Cb 0.28 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 1wr1 h VAL 26 CO 0.00 0.00 0.21 0.11 0.02 0.00 0.00 177.57 177.92 1wr1 h LYS 27 N -0.50 0.29 0.00 1.57 1.57 -1.36 0.02 116.57 118.16 1wr1 h LYS 27 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wr1 h LYS 27 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1wr1 h LYS 27 CO -0.22 0.19 0.00 1.03 -0.57 0.00 0.00 179.45 179.88 1wr1 h SER 28 N 0.30 0.00 0.55 0.86 0.87 -0.87 -2.57 113.55 112.69 1wr1 h SER 28 Ca 0.43 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.70 1wr1 h SER 28 Cb 0.73 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1wr1 h SER 28 CO -0.50 0.00 -1.51 0.11 -0.53 0.00 0.00 176.83 174.40 1wr1 h LYS 29 N 0.00 0.13 -0.53 2.24 1.79 -0.39 -3.25 116.57 116.56 1wr1 h LYS 29 Ca 0.00 -0.23 0.07 0.00 -2.18 0.00 0.00 60.65 58.31 1wr1 h LYS 29 Cb 0.20 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1wr1 h LYS 29 CO 0.00 0.93 0.36 0.82 -1.08 0.00 0.00 179.45 180.47 1wr1 h ILE 30 N 0.04 0.95 0.00 1.86 5.03 -1.32 -1.24 117.51 122.83 1wr1 h ILE 30 Ca -0.22 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1wr1 h ILE 30 Cb 1.97 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 36.24 1wr1 h ILE 30 CO 0.13 0.08 0.00 -0.61 -0.68 0.00 0.00 178.15 177.07 1wr1 h GLN 31 N 0.43 0.00 0.00 2.37 4.15 -1.57 0.06 115.11 120.55 1wr1 h GLN 31 Ca 0.24 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 1wr1 h GLN 31 Cb 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1wr1 h GLN 31 CO -0.06 0.00 -0.60 0.22 -1.93 0.00 0.00 178.83 176.45 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.36 -3.09 116.42 114.86 1wr1 h ASP 32 Ca 0.00 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 1wr1 h ASP 32 Cb 0.10 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 1wr1 h ASP 32 CO 0.00 0.19 -2.34 0.29 -2.88 0.00 0.00 179.24 174.49 1wr1 n LYS 33 N -2.97 0.66 0.00 0.28 4.76 -0.12 -4.80 118.16 115.97 1wr1 n LYS 33 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wr1 n LYS 33 Cb 0.62 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1wr1 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wr1 n GLU 34 N -3.11 3.25 -0.38 1.97 -0.58 -0.45 -5.05 120.64 116.28 1wr1 n GLU 34 Ca -0.40 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 1wr1 n GLU 34 Cb 0.98 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 1wr1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wr1 n GLY 35 N 1.12 0.76 3.66 0.62 0.00 -1.17 -5.00 105.19 105.19 1wr1 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wr1 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr1 s ILE 36 N -2.29 3.45 0.01 -0.61 1.01 -1.26 -4.83 121.20 116.68 1wr1 s ILE 36 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1wr1 s ILE 36 Cb 0.00 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.05 1wr1 s ILE 36 CO 0.00 -0.05 1.54 -2.16 0.00 0.00 0.00 174.94 174.26 1wr1 s PRO 37 N 4.18 4.23 0.19 2.79 0.04 -1.26 -3.95 135.00 141.22 1wr1 s PRO 37 Ca 0.77 2.13 0.16 0.00 0.04 0.00 0.00 61.00 64.10 1wr1 s PRO 37 Cb -0.35 -3.67 0.80 0.00 0.04 0.00 0.00 34.50 31.32 1wr1 s PRO 37 CO 0.32 -0.69 1.50 -0.35 0.04 0.00 0.00 177.00 177.82 1wr1 n PRO 38 N 5.83 0.10 0.10 0.56 -0.04 -1.26 -1.41 135.00 138.88 1wr1 n PRO 38 Ca 0.15 0.51 -0.04 0.00 -0.04 0.00 0.00 63.50 64.07 1wr1 n PRO 38 Cb 0.42 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 1wr1 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wr1 h ASP 39 N 0.00 0.02 0.22 3.54 3.58 -1.97 -3.37 116.42 118.44 1wr1 h ASP 39 Ca 0.00 -0.02 -0.25 0.00 0.42 0.00 0.00 57.03 57.18 1wr1 h ASP 39 Cb 0.12 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1wr1 h ASP 39 CO 0.00 0.82 -2.02 0.00 -2.88 0.00 0.00 179.24 175.17 1wr1 n GLN 40 N -3.59 0.66 -2.98 0.28 6.02 -0.50 -4.96 117.38 112.31 1wr1 n GLN 40 Ca -0.01 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.72 1wr1 n GLN 40 Cb 0.77 -1.62 -0.04 0.00 1.02 0.00 0.00 30.24 30.38 1wr1 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1wr1 s GLN 41 N -2.79 3.81 0.13 -1.09 -2.07 -1.11 -1.01 119.66 115.53 1wr1 s GLN 41 Ca -0.07 0.45 0.04 0.00 -1.82 0.00 0.00 55.36 53.96 1wr1 s GLN 41 Cb 0.08 -2.43 -0.04 0.00 -1.09 0.00 0.00 33.01 29.53 1wr1 s GLN 41 CO 0.84 0.04 -0.11 1.03 -1.32 0.00 0.00 175.29 175.77 1wr1 s ARG 42 N -3.61 0.99 0.16 9.60 0.52 0.48 -4.93 118.95 122.17 1wr1 s ARG 42 Ca 0.51 -1.34 0.10 0.00 -0.52 0.00 0.00 55.73 54.47 1wr1 s ARG 42 Cb -0.10 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.70 1wr1 s ARG 42 CO 0.28 0.09 -0.19 -0.51 0.02 0.00 0.00 175.30 174.98 1wr1 s LEU 43 N -2.89 2.62 -0.06 2.53 1.43 -1.26 -0.94 118.68 120.11 1wr1 s LEU 43 Ca 0.13 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1wr1 s LEU 43 Cb 0.00 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.83 1wr1 s LEU 43 CO 0.01 0.14 -0.08 -0.63 0.23 0.00 0.00 176.35 176.02 1wr1 s ILE 44 N -1.42 0.83 -0.02 -0.59 -1.09 -0.50 -1.01 121.20 117.40 1wr1 s ILE 44 Ca 0.20 -0.28 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 1wr1 s ILE 44 Cb -0.09 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 40.00 1wr1 s ILE 44 CO 0.11 0.29 0.23 0.12 -1.23 0.00 0.00 174.94 174.45 1wr1 s PHE 45 N 0.90 -0.09 -0.74 3.97 5.36 -0.90 -2.89 117.98 123.59 1wr1 s PHE 45 Ca -0.11 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1wr1 s PHE 45 Cb -0.15 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1wr1 s PHE 45 CO 0.01 -0.31 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 1wr1 n ALA 46 N 1.57 -0.80 -0.53 11.12 0.00 -1.26 -0.86 120.51 129.77 1wr1 n ALA 46 Ca -0.21 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1wr1 n ALA 46 Cb 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1wr1 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr1 n GLY 47 N -0.67 1.26 3.77 0.00 0.00 -1.26 -5.02 105.19 103.26 1wr1 n GLY 47 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1wr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 48 N -0.18 4.40 -0.31 1.61 2.47 -0.03 -5.05 119.74 122.65 1wr1 s LYS 48 Ca 0.00 0.93 -0.29 0.00 -1.56 0.00 0.00 55.97 55.05 1wr1 s LYS 48 Cb 0.00 -3.31 0.01 0.00 -1.46 0.00 0.00 37.83 33.07 1wr1 s LYS 48 CO 0.00 0.45 1.24 -1.14 0.16 0.00 0.00 175.35 176.06 1wr1 s GLN 49 N -0.57 3.96 0.18 4.03 0.74 -1.26 -2.12 119.66 124.61 1wr1 s GLN 49 Ca 0.34 1.19 -0.30 0.00 0.05 0.00 0.00 55.36 56.64 1wr1 s GLN 49 Cb -0.20 -3.84 -0.07 0.00 1.10 0.00 0.00 33.01 29.99 1wr1 s GLN 49 CO 0.21 -1.06 0.98 -0.51 -0.55 0.00 0.00 175.29 174.36 1wr1 s LEU 50 N 4.17 4.56 0.08 3.68 1.43 -0.18 -5.02 118.68 127.40 1wr1 s LEU 50 Ca 0.53 1.91 -0.15 0.00 -1.03 0.00 0.00 54.13 55.39 1wr1 s LEU 50 Cb -0.15 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1wr1 s LEU 50 CO 0.21 -0.00 0.49 -0.70 0.23 0.00 0.00 176.35 176.58 1wr1 s GLU 51 N -0.55 3.98 0.26 1.70 2.12 -1.26 -4.52 118.70 120.43 1wr1 s GLU 51 Ca 0.45 0.48 -0.04 0.00 0.36 0.00 0.00 54.97 56.22 1wr1 s GLU 51 Cb -0.25 -3.09 0.34 0.00 0.26 0.00 0.00 34.13 31.39 1wr1 s GLU 51 CO 0.32 0.58 1.92 -0.44 -0.54 0.00 0.00 175.26 177.10 1wr1 h ASP 52 N 4.10 1.09 0.33 -1.70 3.32 -1.96 -2.60 116.42 119.00 1wr1 h ASP 52 Ca -0.50 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1wr1 h ASP 52 Cb 1.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1wr1 h ASP 52 CO 0.64 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 179.53 1wr1 n GLY 53 N -1.38 -1.13 3.87 2.75 0.00 -1.26 -2.35 105.19 105.68 1wr1 n GLY 53 Ca 0.13 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1wr1 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr1 s ARG 54 N -2.35 2.17 0.43 1.61 1.81 -0.98 -4.89 118.95 116.75 1wr1 s ARG 54 Ca 0.35 0.31 0.07 0.00 -1.72 0.00 0.00 55.73 54.74 1wr1 s ARG 54 Cb 0.20 -1.96 -0.02 0.00 -0.45 0.00 0.00 34.95 32.73 1wr1 s ARG 54 CO 0.41 -1.49 0.36 0.95 -0.68 0.00 0.00 175.30 174.85 1wr1 s THR 55 N -3.42 2.50 0.15 0.02 -4.23 -1.26 -0.93 115.64 108.46 1wr1 s THR 55 Ca 0.61 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 1wr1 s THR 55 Cb -0.12 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1wr1 s THR 55 CO 0.51 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.27 1wr1 h LEU 56 N 1.04 0.11 -1.85 4.79 -0.00 -1.51 -2.78 115.31 115.11 1wr1 h LEU 56 Ca -0.41 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.59 1wr1 h LEU 56 Cb 1.27 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.93 1wr1 h LEU 56 CO 0.59 0.10 0.29 -1.28 -0.00 0.00 0.00 178.44 178.14 1wr1 h SER 57 N 0.24 0.16 -0.06 -0.43 0.87 -1.44 -1.64 113.55 111.25 1wr1 h SER 57 Ca 0.14 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1wr1 h SER 57 Cb 0.11 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1wr1 h SER 57 CO -0.15 0.10 0.04 -0.78 -0.53 0.00 0.00 176.83 175.51 1wr1 h ASP 58 N 0.18 0.03 -0.50 6.23 3.58 -1.78 -1.08 116.42 123.09 1wr1 h ASP 58 Ca 0.19 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1wr1 h ASP 58 Cb 0.53 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1wr1 h ASP 58 CO -0.03 0.02 0.00 -1.22 -2.88 0.00 0.00 179.24 175.13 1wr1 n TYR 59 N -4.53 1.04 -2.13 0.28 4.01 -0.92 -4.96 117.16 109.95 1wr1 n TYR 59 Ca -0.02 -0.62 -0.18 0.00 -0.16 0.00 0.00 57.90 56.92 1wr1 n TYR 59 Cb 0.12 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1wr1 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wr1 n ASN 60 N 0.69 -5.13 -4.66 7.72 2.85 -0.41 -4.93 115.26 111.40 1wr1 n ASN 60 Ca 0.21 0.18 -0.47 0.00 -0.11 0.00 0.00 54.58 54.39 1wr1 n ASN 60 Cb 0.73 -4.38 -0.04 0.00 1.24 0.00 0.00 39.78 37.33 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1wr1 n ILE 61 N -3.29 0.57 -2.44 -1.44 2.08 -0.66 -4.96 119.36 109.22 1wr1 n ILE 61 Ca -0.21 -0.15 -0.23 0.00 0.56 0.00 0.00 62.75 62.72 1wr1 n ILE 61 Cb 0.64 -2.01 0.06 0.00 -0.75 0.00 0.00 39.64 37.59 1wr1 n ILE 61 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1wr1 s GLN 62 N 4.52 2.26 0.88 0.38 -1.52 -1.26 -4.50 119.66 120.42 1wr1 s GLN 62 Ca 0.94 -0.60 -0.11 0.00 -1.95 0.00 0.00 55.36 53.65 1wr1 s GLN 62 Cb -0.63 -2.32 0.13 0.00 -0.22 0.00 0.00 33.01 29.97 1wr1 s GLN 62 CO 0.48 -1.05 1.15 -1.59 -0.25 0.00 0.00 175.29 174.03 1wr1 s LYS 63 N -5.03 1.22 -1.14 2.91 0.00 -1.26 -3.43 119.74 113.01 1wr1 s LYS 63 Ca 0.60 1.56 0.00 0.00 0.00 0.00 0.00 55.97 58.13 1wr1 s LYS 63 Cb -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 37.83 35.98 1wr1 s LYS 63 CO 0.42 -2.49 0.00 -0.85 0.00 0.00 0.00 175.35 172.43 1wr1 n GLU 64 N -4.02 -1.25 -1.81 1.78 0.28 0.66 -4.97 120.64 111.32 1wr1 n GLU 64 Ca 0.12 0.63 -0.34 0.00 -0.16 0.00 0.00 57.16 57.41 1wr1 n GLU 64 Cb 0.52 -4.83 0.05 0.00 1.43 0.00 0.00 31.44 28.61 1wr1 n GLU 64 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wr1 s SER 65 N -1.91 5.02 -0.52 -1.84 0.15 -1.22 -4.74 113.70 108.63 1wr1 s SER 65 Ca 0.00 2.17 0.03 0.00 0.70 0.00 0.00 55.95 58.85 1wr1 s SER 65 Cb 0.00 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.87 1wr1 s SER 65 CO 0.00 -1.70 0.27 0.42 1.20 0.00 0.00 173.24 173.43 1wr1 s THR 66 N -2.04 2.74 0.60 6.45 -4.23 -1.26 -0.55 115.64 117.35 1wr1 s THR 66 Ca 0.71 -3.18 0.05 0.00 -1.18 0.00 0.00 61.69 58.09 1wr1 s THR 66 Cb -0.25 -2.89 0.08 0.00 1.34 0.00 0.00 72.50 70.79 1wr1 s THR 66 CO 0.38 -0.79 0.82 -0.76 -0.54 0.00 0.00 174.62 173.73 1wr1 s LEU 67 N -0.15 3.16 0.17 4.79 2.01 -0.21 -4.97 118.68 123.48 1wr1 s LEU 67 Ca 0.16 -0.53 0.09 0.00 0.01 0.00 0.00 54.13 53.86 1wr1 s LEU 67 Cb -0.24 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 1wr1 s LEU 67 CO -0.01 -1.41 -0.18 -1.00 1.01 0.00 0.00 176.35 174.75 1wr1 s HIS 68 N -2.79 1.86 0.09 0.29 3.76 -1.14 -0.61 115.29 116.76 1wr1 s HIS 68 Ca 0.62 -0.46 0.10 0.00 -0.15 0.00 0.00 55.06 55.16 1wr1 s HIS 68 Cb -0.07 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1wr1 s HIS 68 CO 0.40 0.35 -0.25 -0.48 -0.85 0.00 0.00 174.74 173.91 1wr1 s LEU 69 N -2.72 2.26 -0.06 0.89 2.34 -0.69 -1.41 118.68 119.30 1wr1 s LEU 69 Ca 0.17 -0.67 -0.00 0.00 0.06 0.00 0.00 54.13 53.69 1wr1 s LEU 69 Cb -0.06 -1.15 0.02 0.00 -0.56 0.00 0.00 46.19 44.45 1wr1 s LEU 69 CO 0.07 0.18 -0.02 0.54 -1.06 0.00 0.00 176.35 176.06 1wr1 s VAL 70 N -0.98 0.45 0.17 1.48 0.11 -0.12 -4.19 120.40 117.32 1wr1 s VAL 70 Ca 0.11 -0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1wr1 s VAL 70 Cb -0.10 -0.53 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 1wr1 s VAL 70 CO 0.04 0.23 0.74 -0.76 -3.33 0.00 0.00 175.10 172.03 1wr1 s LEU 71 N 1.36 4.52 0.37 2.54 2.01 -1.26 -0.38 118.68 127.84 1wr1 s LEU 71 Ca -0.04 1.54 0.27 0.00 0.01 0.00 0.00 54.13 55.92 1wr1 s LEU 71 Cb -0.13 -3.33 1.06 0.00 0.01 0.00 0.00 46.19 43.80 1wr1 s LEU 71 CO -0.02 0.17 1.81 0.08 1.01 0.00 0.00 176.35 179.39 1wr1 h ARG 72 N 4.09 0.00 -6.83 1.70 0.11 -1.44 -3.47 114.38 108.54 1wr1 h ARG 72 Ca -0.48 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.08 1wr1 h ARG 72 Cb 1.20 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.35 1wr1 h ARG 72 CO 0.65 0.00 0.72 -0.51 0.10 0.00 0.00 179.97 180.94 1wr1 s LEU 73 N -5.20 4.39 0.87 0.08 1.02 -1.26 -5.05 118.68 113.53 1wr1 s LEU 73 Ca 0.04 2.75 -0.13 0.00 0.02 0.00 0.00 54.13 56.81 1wr1 s LEU 73 Cb 0.09 -3.64 0.12 0.00 0.02 0.00 0.00 46.19 42.78 1wr1 s LEU 73 CO 0.48 -0.68 1.17 -0.13 0.02 0.00 0.00 176.35 177.22 1wr1 s ARG 74 N -1.17 1.46 0.00 1.70 0.52 -1.26 -4.54 118.95 115.66 1wr1 s ARG 74 Ca 0.55 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1wr1 s ARG 74 Cb -0.42 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1wr1 s ARG 74 CO 0.50 -1.95 0.00 0.41 0.02 0.00 0.00 175.30 174.28 1wr1 n GLY 75 N -2.84 0.72 0.00 -3.53 0.00 -1.26 -5.24 105.19 93.04 1wr1 n GLY 75 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93